4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide

C20H21F3N2O2 — CID 108933742

IUPAC4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2O2/c1-19(2,3)15-8-6-14(7-9-15)17(26)24-12-13-4-10-16(11-5-13)25-18(27)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyUWTGAFLTVDIPIU-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.41
Rot. Bonds4

About 4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide

4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (PubChem CID 108933742) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
PubChem CID108933742
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2O2/c1-19(2,3)15-8-6-14(7-9-15)17(26)24-12-13-4-10-16(11-5-13)25-18(27)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyUWTGAFLTVDIPIU-UHFFFAOYSA-N
XLogP4.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide (CID 108933742) is 4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is CC(C)(C)c1ccc(C(=O)NCc2ccc(NC(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
The InChIKey is UWTGAFLTVDIPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-19(2,3)15-8-6-14(7-9-15)17(26)24-12-13-4-10-16(11-5-13)25-18(27)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide?
4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide has a molecular weight of 378.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide is sourced from PubChem (CID 108933742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).